SCHEMBL3122191

SCHEMBL3122191

O=C(Nc1cccc(/C=C/CNC(=O)C(F)(F)F)c1)C1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.49
ALDH1A1 P00352 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.44
RHOA P61586 1/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
RXFP1 Q9HBX9 3/20 0.44
PTPN1 P18031 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3122202 1.00 HPGD (0.49) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL3135232 0.81 MAP2K4 (0.39) ALDH1A1POLBMEN1KMT2A
SCHEMBL3135240 0.81 MAP2K4 (0.39) ALDH1A1POLBMEN1KMT2A
SCHEMBL15576249 0.81 SMN1; SMN2 (0.61) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL3128343 0.81 ALDH1A1 (0.55) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL3128334 0.81 ALDH1A1 (0.55) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL18641057 0.78 ALDH1A1 (0.55) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL18641060 0.78 ALDH1A1 (0.55) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL18664595 0.77 ALDH1A1 (0.63) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3
SCHEMBL20518739 0.77 ALDH1A1 (0.63) HPGDALDH1A1SMN1; SMN2NPSR1KCNK3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-05-26 US disclosed
US-9193669-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2015-11-24 US disclosed
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. (US) 2014-08-14 US disclosed
US-8674137-B2 Compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2014-03-18 US disclosed
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2010-05-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100113539-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HPGD 119/4885ALDH1A1 777/4885SMN1; SMN2 534/4885
US-20160145198-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HPGD 119/4885ALDH1A1 777/4885SMN1; SMN2 534/4885
US-20140228443-A1 COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, ALDH1A2 HPGD 119/4885ALDH1A1 777/4885SMN1; SMN2 534/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.